[2-(hydroxymethyl)-4-(4-nonylphenyl)-1-oxidanyl-butan-2-yl]azanium chloride

Systemtic Name: [2-(hydroxymethyl)-4-(4-nonylphenyl)-1-oxidanyl-butan-2-yl]azanium chloride Openeye Name: [1,1-bis(hydroxymethyl)-3-(4-nonylphenyl)propyl]ammonium chloride CAS Name: [1-hydroxy-2-(hydroxymethyl)-4-(4-nonylphenyl)butan-2-yl]ammonium chloride IUPAC Name: [1-hydroxy-2-(hydroxymethyl)-4-(4-nonylphenyl)butan-2-yl]azanium chloride Traditional Name: [1,1-dimethylol-3-(4-nonylphenyl)propyl]ammonium chloride Formula: C20H36ClNO2 MolecularWeight: 357.95834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)[NH3+].[Cl-]

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)[NH3+].[Cl-]

InChI

InChI=1S/C20H35NO2.ClH/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)14-15-20(21,16-22)17-23;/h10-13,22-23H,2-9,14-17,21H2,1H3;1H